General Information of the Compound
| Compound ID |
CP0535240
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| Compound Name |
4-[(3S,4R)-1-(2,4-dichlorophenyl)sulfonyl-4-hydroxy-4-(hydroxymethyl)pyrrolidin-3-yl]sulfonyl-2-fluorobenzonitrile
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| Structure |
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| Formula |
C18H15Cl2FN2O6S2
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| Molecular Weight |
509.364
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| Canonical SMILES |
OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C18H15Cl2FN2O6S2/c19-12-2-4-16(14(20)5-12)31(28,29)23-8-17(18(25,9-23)10-24)30(26,27)13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18+/m0/s1
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| InChIKey |
RYDOPOXKOPOTSC-ZWKOTPCHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound